2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C52H32F6N4 — CID 134296278

IUPAC2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C(F)(F)F)c7)cc65)c4C#N)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C52H32F6N4/c1-30-19-35(23-38(21-30)51(53,54)55)33-11-13-42-40-7-3-5-9-45(40)61(47(42)25-33)49-27-37(32-15-17-60-18-16-32)28-50(44(49)29-59)62-46-10-6-4-8-41(46)43-14-12-34(26-48(43)62)36-20-31(2)22-39(24-36)52(56,57)58/h3-28H,1-2H3
InChIKeyYHXYZSAJVGCYJZ-UHFFFAOYSA-N
MW826.84 g/mol
LogP14.80
Rot. Bonds5

About 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134296278) has the molecular formula C52H32F6N4 and a molecular weight of 826.84 g/mol. Its IUPAC name is 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134296278
Molecular FormulaC52H32F6N4
Molecular Weight826.84 g/mol
Exact Mass826.25
IUPAC Name2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C(F)(F)F)c7)cc65)c4C#N)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C52H32F6N4/c1-30-19-35(23-38(21-30)51(53,54)55)33-11-13-42-40-7-3-5-9-45(40)61(47(42)25-33)49-27-37(32-15-17-60-18-16-32)28-50(44(49)29-59)62-46-10-6-4-8-41(46)43-14-12-34(26-48(43)62)36-20-31(2)22-39(24-36)52(56,57)58/h3-28H,1-2H3
InChIKeyYHXYZSAJVGCYJZ-UHFFFAOYSA-N
XLogP14.80
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.84
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295725
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134300631
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296253
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295573
2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301885
2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134293067
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 134300612
4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134292587
4-(4,6-dimethylpyrimidin-2-yl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 158411914
2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2-cyanophenyl)benzonitrile
CID 134300219
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134296278) is 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(C(F)(F)F)c7)cc65)c4C#N)c3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is YHXYZSAJVGCYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F6N4/c1-30-19-35(23-38(21-30)51(53,54)55)33-11-13-42-40-7-3-5-9-45(40)61(47(42)25-33)49-27-37(32-15-17-60-18-16-32)28-50(44(49)29-59)62-46-10-6-4-8-41(46)43-14-12-34(26-48(43)62)36-20-31(2)22-39(24-36)52(56,57)58/h3-28H,1-2H3.
What are the key properties of 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 826.84 g/mol, XLogP of 14.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134296278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).